2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide

C21H19ClN4O2 — CID 13341085

IUPAC2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide
SMILESCCc1ccc(-c2ncc(NC(=O)NC(=O)c3ccccc3Cl)nc2C)cc1
InChIInChI=1S/C21H19ClN4O2/c1-3-14-8-10-15(11-9-14)19-13(2)24-18(12-23-19)25-21(28)26-20(27)16-6-4-5-7-17(16)22/h4-12H,3H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyXBBHLEGAPJISKM-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.63
Rot. Bonds4

About 2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide

2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide (PubChem CID 13341085) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide
PubChem CID13341085
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide
SMILESCCc1ccc(-c2ncc(NC(=O)NC(=O)c3ccccc3Cl)nc2C)cc1
InChIInChI=1S/C21H19ClN4O2/c1-3-14-8-10-15(11-9-14)19-13(2)24-18(12-23-19)25-21(28)26-20(27)16-6-4-5-7-17(16)22/h4-12H,3H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyXBBHLEGAPJISKM-UHFFFAOYSA-N
XLogP4.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
CID 13341094
N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide
CID 13341092
2-chloro-N-[[5-(4-chlorophenyl)pyrazin-2-yl]carbamoyl]benzamide
CID 13341093
2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 54087220
N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide
CID 20567062
2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide
CID 20567047
2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524462
4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 142159249
5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109291594
2-bromo-N-[[4,6-dimethyl-5-(4-methylphenyl)-2-pyridinyl]carbamoyl]benzamide
CID 57218913
2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
CID 19072978
2-chloro-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 2278958

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide (CID 13341085) is 2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide is CCc1ccc(-c2ncc(NC(=O)NC(=O)c3ccccc3Cl)nc2C)cc1.
What is the InChIKey of 2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide?
The InChIKey is XBBHLEGAPJISKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-3-14-8-10-15(11-9-14)19-13(2)24-18(12-23-19)25-21(28)26-20(27)16-6-4-5-7-17(16)22/h4-12H,3H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide?
2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide has a molecular weight of 394.86 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide is sourced from PubChem (CID 13341085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).